Geometry & MOs

Info

ID:	399181
PubChem CID:	135038518
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-143.67
Dipole, Da:	3.84
IP(EA), eV:	-9.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-methoxy-2,4-dimethyl-1-phenylpenta-1,4-dien-3-one

Drug info:

PubChemData

Smile

CNC(=O)[C@H](CC1=CC=CC=C1)N(CC(=O)O)C=O

DOS

IR

Vibrations